N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide

C15H17F3N4OS — CID 128972230

IUPACN,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H17F3N4OS/c1-9-13(24-8-19-9)14(23)21(2)5-10-3-4-12-20-11(15(16,17)18)7-22(12)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeySPSXXMDBOKIENI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.00
Rot. Bonds3

About N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 128972230) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID128972230
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC NameN,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H17F3N4OS/c1-9-13(24-8-19-9)14(23)21(2)5-10-3-4-12-20-11(15(16,17)18)7-22(12)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeySPSXXMDBOKIENI-UHFFFAOYSA-N
XLogP3.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (CID 128972230) is N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SPSXXMDBOKIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-9-13(24-8-19-9)14(23)21(2)5-10-3-4-12-20-11(15(16,17)18)7-22(12)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 128972230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).